3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol

C17H13NO3 — CID 24792634

IUPAC3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol
SMILESCOc1ccc(-c2oc3cccnc3c2C#CCO)cc1
InChIInChI=1S/C17H13NO3/c1-20-13-8-6-12(7-9-13)17-14(4-3-11-19)16-15(21-17)5-2-10-18-16/h2,5-10,19H,11H2,1H3
InChIKeyBSENJWREILNPKT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.85
Rot. Bonds2

About 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol

3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol (PubChem CID 24792634) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol
PubChem CID24792634
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol
SMILESCOc1ccc(-c2oc3cccnc3c2C#CCO)cc1
InChIInChI=1S/C17H13NO3/c1-20-13-8-6-12(7-9-13)17-14(4-3-11-19)16-15(21-17)5-2-10-18-16/h2,5-10,19H,11H2,1H3
InChIKeyBSENJWREILNPKT-UHFFFAOYSA-N
XLogP2.85
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol (CID 24792634) is 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol is COc1ccc(-c2oc3cccnc3c2C#CCO)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
The InChIKey is BSENJWREILNPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-13-8-6-12(7-9-13)17-14(4-3-11-19)16-15(21-17)5-2-10-18-16/h2,5-10,19H,11H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol?
3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol has a molecular weight of 279.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)furo[3,2-b]pyridin-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 24792634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).